SCHEMBL819233

SCHEMBL819233

CC1=CC(C(=O)OCC(C)C)C=CC(C(=O)OCC(C)C)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CACNA1F O60840 4/20 0.34
CACNA1D Q01668 4/20 0.34
CACNA1S Q13698 4/20 0.34
CACNA1C Q13936 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.32
GPR35 Q9HC97 1/20 0.32
ADORA2B P29275 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA1 P30542 1/20 0.31
MCL1 Q07820 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
P2RX4 Q99571 1/20 0.31
ALOX12 P18054 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL818065 0.84 GAA (0.37) ALDH1A1TSHRSMN1; SMN2MAPTHTT
SCHEMBL818604 0.67 TSHR (0.40) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818845 0.66 TSHR (0.49) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818971 0.66 ALDH1A1 (0.39) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818575 0.66 ALDH1A1 (0.39) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL6316280 0.61 TSHR (0.41) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL1196061 0.61 TDP1 (0.43) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL13517643 0.61 ALDH1A1 (0.50) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL31296905 0.61 ALDH1A1 (0.50) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818338 0.61 TSHR (0.42) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed